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R5H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11C12doub1.36Å1.37ÅAromatic
C11C10sing1.40Å1.42ÅAromatic
C12C13sing1.39Å1.39ÅAromatic
C9C10doub1.40Å1.42ÅAromatic
C9N3sing1.31Å1.33ÅAromatic
C10C15sing1.42Å1.43ÅAromatic
C13C14doub1.36Å1.37ÅAromatic
N3C8doub1.32Å1.34ÅAromatic
C15C14sing1.40Å1.42ÅAromatic
C15C7doub1.41Å1.43ÅAromatic
C8C7sing1.38Å1.40ÅAromatic
C7N2sing1.40Å1.41Å
N2C6sing1.35Å1.36Å
O2Sdoub1.42Å1.42Å
C6C5sing1.51Å1.53Å
C6O3doub1.21Å1.23Å
C4C5sing1.53Å1.53Å
C4N1sing1.47Å1.47Å
C5C16sing1.51Å1.52Å
COsing1.43Å1.42Å
SN1sing1.66Å1.60Å
SNsing1.66Å1.60Å
SO1doub1.42Å1.42Å
OC1sing1.43Å1.43Å
C3Nsing1.47Å1.49Å
C3C1sing1.53Å1.54Å
N1C22sing1.47Å1.47Å
NC2sing1.47Å1.49Å
C16C17doub1.39Å1.40ÅAromatic
C16C21sing1.38Å1.40ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C1C2sing1.53Å1.54Å
C22C21sing1.51Å1.52Å
C21C20doub1.39Å1.39ÅAromatic
C18CLsing1.74Å1.74Å
C18C19doub1.38Å1.37ÅAromatic
C20C19sing1.38Å1.38ÅAromatic
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C8H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C17H6sing1.08Å1.08Å
C20H7sing1.08Å1.08Å
C22H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
C19H10sing1.08Å1.08Å
C2H11sing1.09Å1.10Å
C2H12sing1.09Å1.10Å
C3H13sing1.09Å1.10Å
C3H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
CH16sing1.09Å1.10Å
CH17sing1.09Å1.10Å
CH18sing1.09Å1.10Å
N2H19sing0.97Å1.00Å
C14H20sing1.08Å1.08Å
C12H21sing1.08Å1.08Å
C11H22sing1.08Å1.08Å
C9H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12C11C10120.6°119.5°
C11C12C13120.6°121.1°
C11C12H21119.7°119.4°
C12C11H22119.7°120.2°
C11C10C9123.1°122.0°
C11C10C15119.0°119.3°
C10C11H22119.7°120.3°
C12C13C14120.6°121.0°
C12C13H5119.7°119.5°
C13C12H21119.7°119.5°
C10C9N3124.1°120.2°
C9C10C15117.8°118.7°
C10C9H23117.9°119.9°
C9N3C8117.5°122.9°
N3C9H23117.9°119.9°
C10C15C14118.1°119.6°
C10C15C7118.1°118.2°
C13C14C15121.0°119.5°
C14C13H5119.7°119.4°
C13C14H20119.5°120.3°
N3C8C7125.3°121.6°
N3C8H4117.3°119.2°
C14C15C7123.8°122.2°
C15C14H20119.5°120.2°
C15C7C8117.1°118.5°
C15C7N2118.9°120.8°
C8C7N2123.9°120.7°
C7C8H4117.4°119.2°
C7N2C6128.5°120.0°
C7N2H19115.7°120.0°
N2C6C5114.7°120.0°
N2C6O3123.2°120.0°
C6N2H19115.8°120.0°
O2SN1107.4°106.4°
O2SN108.9°106.4°
O2SO1120.7°123.2°
C5C6O3122.1°120.0°
C6C5C4113.5°109.2°
C6C5C16109.4°109.2°
C6C5H3107.8°109.2°
C5C4N1111.7°107.9°
C4C5C16110.0°110.9°
C5C4H1108.9°109.7°
C5C4H2108.9°109.8°
C4C5H3107.9°109.2°
C4N1S116.5°121.3°
C4N1C22116.4°117.4°
N1C4H1108.9°109.7°
N1C4H2108.9°109.8°
C5C16C17120.5°117.6°
C5C16C21119.9°122.9°
C16C5H3108.0°109.2°
COC1113.6°114.0°
OCH16109.5°109.5°
OCH17109.4°109.5°
OCH18109.5°109.5°
N1SN103.9°107.2°
N1SO1107.7°106.4°
SN1C22126.7°121.3°
NSO1107.0°106.4°
SNC3135.4°136.1°
SNC2133.0°136.0°
OC1C3106.0°114.2°
OC1C2113.6°114.3°
OC1H15116.6°113.4°
NC3C187.2°88.1°
C3NC291.6°87.9°
NC3H13114.7°113.5°
NC3H14114.7°113.5°
C3C1C287.9°83.4°
C1C3H13114.7°113.4°
C1C3H14114.7°113.5°
C3C1H15114.5°114.2°
N1C22C21113.5°109.7°
N1C22H8108.4°109.5°
N1C22H9108.4°109.4°
NC2C187.2°88.0°
NC2H11114.7°113.4°
NC2H12114.7°113.5°
C17C16C21119.6°119.5°
C16C17C18119.6°120.6°
C16C17H6120.2°119.7°
C16C21C22123.2°122.3°
C16C21C20118.9°119.8°
C17C18CL119.1°120.1°
C17C18C19121.6°119.8°
C18C17H6120.2°119.7°
C1C2H11114.7°113.5°
C1C2H12114.7°113.5°
C2C1H15114.5°114.0°
C22C21C20117.9°117.8°
C21C22H8108.5°109.4°
C21C22H9108.4°109.4°
C21C20C19121.3°120.6°
C21C20H7119.4°119.7°
CLC18C19119.3°120.1°
C18C19C20119.0°119.7°
C18C19H10120.5°120.2°
C19C20H7119.4°119.7°
C20C19H10120.5°120.1°
H1C4H2109.4°109.8°
H8C22H9109.5°109.4°
H11C2H12109.5°112.8°
H13C3H14109.4°112.7°
H16CH17109.5°109.4°
H16CH18109.5°109.4°
H17CH18109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12C11C10H22180.0°180.0°
C11C12C13H21180.0°180.0°
C12C11C10C9179.7°180.0°
C12C11C10C150.6°0.0°
C11C12C13C141.0°0.0°
C11C12C13H5179.0°180.0°
C10C11C12C130.7°0.0°
C11C10C9C15179.6°180.0°
C11C10C9N3179.1°180.0°
C11C10C15C141.7°0.0°
C11C10C15C7177.8°180.0°
C10C11C12H21179.3°180.0°
C11C10C9H230.9°0.0°
C12C13C14H5180.0°180.0°
C12C13C14C150.1°0.0°
C12C13C14H20179.9°180.0°
C13C12C11H22179.3°180.0°
C10C9N3H23180.0°180.0°
C10C9N3C80.7°0.0°
C9C10C15C14178.7°180.0°
C9C10C15C71.8°0.0°
C9C10C11H220.3°0.0°
N3C9C10C150.5°0.0°
C9N3C8C70.7°0.0°
C9N3C8H4179.3°180.0°
C10C15C14C131.4°0.0°
C10C15C14C7179.4°180.0°
C10C15C7C81.8°0.0°
C10C15C7N2175.2°180.0°
C10C15C14H20178.6°180.0°
C15C10C11H22179.3°180.0°
C15C10C9H23179.4°180.0°
C13C14C15H20180.0°180.0°
C13C14C15C7178.0°180.0°
C14C13C12H21179.0°180.0°
N3C8C7C150.6°0.0°
N3C8C7H4180.0°180.0°
N3C8C7N2176.3°180.0°
C8N3C9H23179.3°180.0°
C14C15C7C8178.7°180.0°
C14C15C7N24.2°0.0°
C15C14C13H5179.9°180.0°
C15C7C8N2176.9°180.0°
C15C7N2C6105.8°159.2°
C15C7C8H4179.4°180.0°
C15C7N2H1974.2°20.7°
C7C15C14H202.0°0.0°
C8C7N2C671.0°20.7°
C8C7N2H19109.0°159.3°
C7N2C6H19180.0°180.0°
C7N2C6C5176.8°178.0°
C7N2C6O31.1°2.0°
N2C7C8H43.7°0.0°
N2C6C5O3178.0°180.0°
N2C6C5C475.0°94.6°
N2C6C5C16161.7°144.1°
N2C6C5H344.4°24.8°
O2SN1C46.7°24.0°
O2SN1N115.2°113.5°
O2SN1O1131.5°133.0°
O2SNO1132.0°132.9°
O2SNC346.9°28.3°
O2SN1C22179.8°155.7°
O2SNC2130.2°151.3°
C6C5C4C16123.0°120.3°
C6C5C4H3119.4°119.3°
C6C5C4N169.8°72.9°
C6C5C16H3117.1°119.3°
C6C5C16C1779.2°79.5°
C6C5C16C2198.3°100.4°
C6C5C4H150.6°167.6°
C6C5C4H2169.9°46.8°
C5C6N2H193.1°2.0°
O3C6C5C4106.9°85.4°
O3C6C5C1616.3°35.9°
O3C6C5H3133.6°155.2°
O3C6N2H19178.9°178.0°
C5C4N1H1120.3°119.5°
C5C4N1H2120.4°119.7°
C4C5C16H3117.5°120.4°
C5C4N1S129.7°115.4°
C5C4N1C2256.5°64.2°
C4C5C16C17155.4°160.2°
C4C5C16C2127.0°19.9°
C5C4H1H2119.0°120.8°
N1C4C5C1653.2°47.4°
C4N1SC22173.0°179.7°
C4N1SN122.0°89.5°
C4N1SO1124.7°157.0°
C4N1C22C2128.9°44.3°
N1C4H1H2118.9°120.8°
N1C4C5H3170.8°167.8°
C4N1C22H8149.5°164.3°
C4N1C22H991.7°75.7°
C5C16C17C21177.5°179.9°
C5C16C17C18174.6°179.5°
C5C16C21C221.4°1.0°
C5C16C21C20176.1°179.4°
C16C5C4H1173.5°72.1°
C16C5C4H267.2°167.1°
C5C16C17H65.4°0.5°
COC1C391.6°150.0°
COC1C2173.6°116.3°
COC1H1537.2°16.8°
OCH16H17120.0°120.1°
OCH16H18120.0°120.0°
OCH17H18120.0°120.0°
N1SNO1113.8°113.6°
N1SNC367.3°85.2°
N1SNC2115.7°95.2°
SN1C22C21158.1°135.4°
SN1C4H19.4°125.0°
SN1C4H2109.9°4.2°
SN1C22H837.5°15.3°
SN1C22H981.4°104.6°
SNC3C2177.8°179.7°
SNC3C1159.0°152.8°
NSN1C2265.0°90.8°
SNC2C1159.1°152.8°
SNC2H1143.1°92.4°
SNC2H1284.9°38.0°
SNC3H1385.0°38.0°
SNC3H1443.0°92.4°
O1SNC3178.9°161.2°
O1SN1C2248.3°22.7°
O1SNC21.9°18.4°
OC1C3N95.7°139.6°
OC1C3C2114.0°113.7°
OC1C3H15130.0°132.8°
OC1C2N88.3°139.5°
OC1C2H15137.3°132.8°
OC1C2H1127.7°24.8°
OC1C2H12155.7°105.7°
OC1C3H13148.3°105.5°
OC1C3H1420.3°24.8°
C1OCH16180.0°60.0°
C1OCH1760.0°180.0°
C1OCH1860.0°60.0°
NC3C1H13116.0°114.8°
NC3C1H14116.0°114.9°
NC3C1C218.2°25.9°
C3NC2H11134.8°87.9°
C3NC2H1297.1°141.7°
NC3H13H14130.6°130.8°
NC3C1H15134.3°87.5°
C3C1C2H15116.1°113.6°
C3C1C2H11134.2°88.8°
C3C1C2H1297.7°140.7°
C1C3H13H14130.6°130.7°
N1C22C21C161.1°11.2°
N1C22C21H8120.6°120.1°
N1C22C21H9120.6°120.0°
N1C22C21C20176.4°169.2°
C22N1C4H1176.9°55.3°
C22N1C4H263.8°176.1°
N1C22H8H9118.1°119.9°
NC2C1H11116.0°114.7°
NC2C1H12116.0°114.8°
NC2H11H12130.6°130.7°
C2NC3H1397.1°141.7°
C2NC3H14134.9°87.9°
NC2C1H15134.4°87.7°
C16C17C18H6180.0°180.0°
C17C16C21C22179.0°179.1°
C17C16C21C201.5°0.5°
C16C17C18CL175.4°180.0°
C16C17C18C192.0°0.0°
C17C16C5H337.9°39.8°
C21C16C17C182.9°0.4°
C16C21C22C20177.5°179.6°
C16C21C20C190.9°0.2°
C21C16C5H3144.6°140.3°
C21C16C17H6177.1°179.7°
C16C21C20H7179.1°179.7°
C16C21C22H8121.7°131.3°
C16C21C22H9119.5°108.8°
C17C18CLC19177.5°180.0°
C17C18C19C200.3°0.3°
C17C18C19H10179.6°179.8°
C1C2H11H12130.6°130.8°
C2C1C3H1397.8°140.7°
C2C1C3H14134.3°89.0°
C22C21C20C19176.7°179.4°
C22C21C20H73.3°0.7°
C21C22H8H9118.2°119.9°
C21C20C19C181.8°0.2°
C21C20C19H7180.0°179.9°
C20C21C22H855.8°49.2°
C20C21C22H963.0°70.7°
C21C20C19H10178.2°179.8°
CLC18C19C20177.8°179.8°
CLC18C17H64.6°0.0°
CLC18C19H102.2°0.2°
C18C19C20H10180.0°180.0°
C19C18C17H6178.0°179.9°
C18C19C20H7178.2°179.9°
H1C4C5H368.9°48.3°
H2C4C5H350.4°72.5°
H5C13C14H200.1°0.0°
H5C13C12H211.0°0.0°
H7C20C19H101.9°0.1°
H11C2C1H15109.7°157.5°
H12C2C1H1518.4°27.1°
H13C3C1H1518.3°27.3°
H14C3C1H15109.7°157.6°
H16CH17H18120.0°119.9°
H21C12C11H220.7°0.0°

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